N-[3-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]-4-(trifluoromethyl)benzamide

C26H20F4N6OS — CID 155927205

IUPACN-[3-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCCNc1nccc(-c2c(-c3cccc(F)c3)nc3sccn23)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H20F4N6OS/c27-19-4-1-3-17(15-19)21-22(36-13-14-38-25(36)35-21)20-9-12-33-24(34-20)32-11-2-10-31-23(37)16-5-7-18(8-6-16)26(28,29)30/h1,3-9,12-15H,2,10-11H2,(H,31,37)(H,32,33,34)
InChIKeySZUJNOIMBLQEQE-UHFFFAOYSA-N
MW540.55 g/mol
LogP5.91
Rot. Bonds8

About N-[3-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]-4-(trifluoromethyl)benzamide

N-[3-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]-4-(trifluoromethyl)benzamide (PubChem CID 155927205) has the molecular formula C26H20F4N6OS and a molecular weight of 540.55 g/mol. Its IUPAC name is N-[3-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]-4-(trifluoromethyl)benzamide
PubChem CID155927205
Molecular FormulaC26H20F4N6OS
Molecular Weight540.55 g/mol
Exact Mass540.14
IUPAC NameN-[3-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NCCCNc1nccc(-c2c(-c3cccc(F)c3)nc3sccn23)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H20F4N6OS/c27-19-4-1-3-17(15-19)21-22(36-13-14-38-25(36)35-21)20-9-12-33-24(34-20)32-11-2-10-31-23(37)16-5-7-18(8-6-16)26(28,29)30/h1,3-9,12-15H,2,10-11H2,(H,31,37)(H,32,33,34)
InChIKeySZUJNOIMBLQEQE-UHFFFAOYSA-N
XLogP5.91
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.55
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]-4-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]-4-(trifluoromethyl)benzamide (CID 155927205) is N-[3-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]-4-(trifluoromethyl)benzamide is O=C(NCCCNc1nccc(-c2c(-c3cccc(F)c3)nc3sccn23)n1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]-4-(trifluoromethyl)benzamide?
The InChIKey is SZUJNOIMBLQEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4N6OS/c27-19-4-1-3-17(15-19)21-22(36-13-14-38-25(36)35-21)20-9-12-33-24(34-20)32-11-2-10-31-23(37)16-5-7-18(8-6-16)26(28,29)30/h1,3-9,12-15H,2,10-11H2,(H,31,37)(H,32,33,34).
What are the key properties of N-[3-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]-4-(trifluoromethyl)benzamide?
N-[3-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]-4-(trifluoromethyl)benzamide has a molecular weight of 540.55 g/mol, XLogP of 5.91, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[6-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 155927205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).